| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:48 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248947 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H22O8 |
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| Molecular Mass | 426.1315 |
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| SMILES | COc1ccc(-c2ccc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)ccc3c2)cc1 |
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| InChI Key | RIYLSETYKBPGMN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | phenylnaphthalenes |
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| Direct Parent | phenylnaphthalenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyranphenylnaphthaleneanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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